SCHEMBL7968917

SCHEMBL7968917

Cn1c(=O)c(Cc2ccc(C#N)cc2)nc2cc(C3(NC(=O)OC(C)(C)C)CC3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.48
F10 P00742 10/20 0.47
PLG P00747 7/20 0.47
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
MAOA P21397 1/20 0.36
ITK Q08881 1/20 0.35
PARG Q86W56 2/20 0.34
DRD2 P14416 1/20 0.33
SCN9A Q15858 1/20 0.33
CACNA1H O95180 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7426925 0.80 F2 (0.72) F2F10PLGPRSS1PRSS2
SCHEMBL7425127 0.80 F2 (0.48) F2F10PLGPRSS1PRSS2
SCHEMBL7979857 0.80 F2 (0.45) F2F10PLGPRSS1PRSS2
SCHEMBL7979859 0.79 F2 (0.48) F2F10PLGPRSS1PRSS2
SCHEMBL7426354 0.79 F2 (0.55) F2F10PLGPRSS1PRSS2
SCHEMBL7977870 0.77 F2 (0.56) F2F10PLGPRSS1PRSS2
SCHEMBL7985234 0.76 F2 (0.69) F2F10PLGPRSS1PRSS2
SCHEMBL9923372 0.75 AKT1 (0.41) DRD2SCN9A
SCHEMBL7979862 0.72 F2 (0.65) F2F10PLGPRSS1PRSS2
SCHEMBL7426210 0.72 F2 (0.46) F2F10PLGPRSS1PRSS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed